Accurate Thermochemistry for Main-Group Elements up to Xenon with the Wn-P34 Series of Composite Methods
Author:
Affiliation:
1. Graduate School of Engineering, Nagasaki University, Bunkyo 1−14, Nagasaki 852-8521, Japan
Funder
Tokyo Ohka Foundation for The Promotion of Science and Technology
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00598
Reference76 articles.
1. Chapter 3 Computational Thermochemistry: A Brief Overview of Quantum Mechanical Approaches
2. How to computationally calculate thermochemical properties objectively, accurately, and as economically as possible
3. G n theory
4. Complete Basis Set Models for Chemical Reactivity: from the Helium Atom to Enzyme Kinetics
5. A computational chemist's guide to accurate thermochemistry for organic molecules
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